BDBM50545750 CHEMBL4639782

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2)C(O)=O

InChI Key InChIKey=OZLAXYFQEIVNFJ-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50545750   

TargetMelanocortin receptor 5(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545750(CHEMBL4639782)
Affinity DataKi:  2.20E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545750(CHEMBL4639782)
Affinity DataKi:  2.60E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocyte-stimulating hormone receptor(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545750(CHEMBL4639782)
Affinity DataKi:  2.90E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocortin receptor 3(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545750(CHEMBL4639782)
Affinity DataKi:  3.90E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed